N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide

C18H28N2O4 — CID 75366929

IUPACN-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)C3CC3)O2)no1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)16-9-12(20-24-16)8-13-6-7-14(21)15(23-13)10-19-17(22)11-4-5-11/h9,11,13-15,21H,4-8,10H2,1-3H3,(H,19,22)/t13-,14-,15+/m0/s1
InChIKeyMXUBYNRMDGEARI-SOUVJXGZSA-N
MW336.43 g/mol
LogP1.95
Rot. Bonds5

About N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide

N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 75366929) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID75366929
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)C3CC3)O2)no1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)16-9-12(20-24-16)8-13-6-7-14(21)15(23-13)10-19-17(22)11-4-5-11/h9,11,13-15,21H,4-8,10H2,1-3H3,(H,19,22)/t13-,14-,15+/m0/s1
InChIKeyMXUBYNRMDGEARI-SOUVJXGZSA-N
XLogP1.95
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide (CID 75366929) is N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide is CC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)C3CC3)O2)no1.
What is the InChIKey of N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is MXUBYNRMDGEARI-SOUVJXGZSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(2,3)16-9-12(20-24-16)8-13-6-7-14(21)15(23-13)10-19-17(22)11-4-5-11/h9,11,13-15,21H,4-8,10H2,1-3H3,(H,19,22)/t13-,14-,15+/m0/s1.
What are the key properties of N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 336.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 75366929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).